5,5-dimethyl-3'-propan-2-ylspiro[1,3-dioxane-2,7'-6,8,9,10-tetrahydro-5H-cycloocta[b]pyridine]

C19H29NO2 — CID 147785846

IUPAC5,5-dimethyl-3'-propan-2-ylspiro[1,3-dioxane-2,7'-6,8,9,10-tetrahydro-5H-cycloocta[b]pyridine]
SMILESCC(C)c1cnc2c(c1)CCC1(CCC2)OCC(C)(C)CO1
InChIInChI=1S/C19H29NO2/c1-14(2)16-10-15-7-9-19(8-5-6-17(15)20-11-16)21-12-18(3,4)13-22-19/h10-11,14H,5-9,12-13H2,1-4H3
InChIKeyHIRBHODSLQGHJK-UHFFFAOYSA-N
MW303.45 g/mol
LogP4.24
Rot. Bonds1

About 5,5-dimethyl-3'-propan-2-ylspiro[1,3-dioxane-2,7'-6,8,9,10-tetrahydro-5H-cycloocta[b]pyridine]

5,5-dimethyl-3'-propan-2-ylspiro[1,3-dioxane-2,7'-6,8,9,10-tetrahydro-5H-cycloocta[b]pyridine] (PubChem CID 147785846) has the molecular formula C19H29NO2 and a molecular weight of 303.45 g/mol. Its IUPAC name is 5,5-dimethyl-3'-propan-2-ylspiro[1,3-dioxane-2,7'-6,8,9,10-tetrahydro-5H-cycloocta[b]pyridine].

Molecular Properties

Compound Name5,5-dimethyl-3'-propan-2-ylspiro[1,3-dioxane-2,7'-6,8,9,10-tetrahydro-5H-cycloocta[b]pyridine]
PubChem CID147785846
Molecular FormulaC19H29NO2
Molecular Weight303.45 g/mol
Exact Mass303.22
IUPAC Name5,5-dimethyl-3'-propan-2-ylspiro[1,3-dioxane-2,7'-6,8,9,10-tetrahydro-5H-cycloocta[b]pyridine]
SMILESCC(C)c1cnc2c(c1)CCC1(CCC2)OCC(C)(C)CO1
InChIInChI=1S/C19H29NO2/c1-14(2)16-10-15-7-9-19(8-5-6-17(15)20-11-16)21-12-18(3,4)13-22-19/h10-11,14H,5-9,12-13H2,1-4H3
InChIKeyHIRBHODSLQGHJK-UHFFFAOYSA-N
XLogP4.24
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.45
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-3'-propan-2-ylspiro[1,3-dioxane-2,7'-6,8,9,10-tetrahydro-5H-cycloocta[b]pyridine]?
The IUPAC name of 5,5-dimethyl-3'-propan-2-ylspiro[1,3-dioxane-2,7'-6,8,9,10-tetrahydro-5H-cycloocta[b]pyridine] (CID 147785846) is 5,5-dimethyl-3'-propan-2-ylspiro[1,3-dioxane-2,7'-6,8,9,10-tetrahydro-5H-cycloocta[b]pyridine].
What is the SMILES notation for 5,5-dimethyl-3'-propan-2-ylspiro[1,3-dioxane-2,7'-6,8,9,10-tetrahydro-5H-cycloocta[b]pyridine]?
The canonical SMILES for 5,5-dimethyl-3'-propan-2-ylspiro[1,3-dioxane-2,7'-6,8,9,10-tetrahydro-5H-cycloocta[b]pyridine] is CC(C)c1cnc2c(c1)CCC1(CCC2)OCC(C)(C)CO1.
What is the InChIKey of 5,5-dimethyl-3'-propan-2-ylspiro[1,3-dioxane-2,7'-6,8,9,10-tetrahydro-5H-cycloocta[b]pyridine]?
The InChIKey is HIRBHODSLQGHJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NO2/c1-14(2)16-10-15-7-9-19(8-5-6-17(15)20-11-16)21-12-18(3,4)13-22-19/h10-11,14H,5-9,12-13H2,1-4H3.
What are the key properties of 5,5-dimethyl-3'-propan-2-ylspiro[1,3-dioxane-2,7'-6,8,9,10-tetrahydro-5H-cycloocta[b]pyridine]?
5,5-dimethyl-3'-propan-2-ylspiro[1,3-dioxane-2,7'-6,8,9,10-tetrahydro-5H-cycloocta[b]pyridine] has a molecular weight of 303.45 g/mol, XLogP of 4.24, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-3'-propan-2-ylspiro[1,3-dioxane-2,7'-6,8,9,10-tetrahydro-5H-cycloocta[b]pyridine] is sourced from PubChem (CID 147785846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).